2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine

C16H25NO — CID 112518591

IUPAC2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine
SMILESCCc1ccc(OC)c(CCCC2CCCN2)c1
InChIInChI=1S/C16H25NO/c1-3-13-9-10-16(18-2)14(12-13)6-4-7-15-8-5-11-17-15/h9-10,12,15,17H,3-8,11H2,1-2H3
InChIKeyDLUVWWFWXZCTHM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds6

About 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine

2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine (PubChem CID 112518591) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine
PubChem CID112518591
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine
SMILESCCc1ccc(OC)c(CCCC2CCCN2)c1
InChIInChI=1S/C16H25NO/c1-3-13-9-10-16(18-2)14(12-13)6-4-7-15-8-5-11-17-15/h9-10,12,15,17H,3-8,11H2,1-2H3
InChIKeyDLUVWWFWXZCTHM-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine
CID 112519352
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 115208323
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
CID 56829684
1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982
2-(3-bromo-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208373
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine?
The IUPAC name of 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine (CID 112518591) is 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine is CCc1ccc(OC)c(CCCC2CCCN2)c1.
What is the InChIKey of 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine?
The InChIKey is DLUVWWFWXZCTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-9-10-16(18-2)14(12-13)6-4-7-15-8-5-11-17-15/h9-10,12,15,17H,3-8,11H2,1-2H3.
What are the key properties of 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine?
2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine is sourced from PubChem (CID 112518591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).